NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3641 8.4029 116.7657 55.3571 31.7534 177.0880 7 R 3.9122 8.4745 120.5767 61.2236 29.1782 178.4895 8 L 4.1417 7.7433 120.8768 58.4706 42.7692 178.4120 9 H 4.2257 8.2348 114.4847 58.3708 28.4704 176.7713 10 Y 3.8753 7.6751 122.4504 60.7491 38.6298 177.9003 11 Q 3.7491 8.4572 119.3240 58.9424 28.7578 179.1700 12 V 3.3707 7.9617 119.5399 65.6800 31.5315 178.1472 13 G 3.5344 7.8597 105.5485 47.8650 0.0000 175.2981 14 Q 3.7594 7.8292 121.9812 58.8360 29.1153 178.4365 15 R 3.7809 7.6042 119.1438 59.1867 30.0102 178.3829 16 A 4.0835 8.0421 120.7486 55.0418 18.2200 179.2937 17 L 3.8089 8.0137 117.8246 58.4567 42.2674 178.8930 18 I 3.8206 7.5850 118.2889 64.4209 37.2282 178.1143 19 Q 4.1826 8.0097 118.2679 58.8371 28.5495 179.3978 20 A 4.0523 7.9300 117.9443 53.0998 18.2099 179.0730 *22 Q 4.1860 7.9598 120.0020 57.5063 30.7636 177.8879 23 I 3.7092 8.0307 117.5243 64.3916 37.1193 178.0596 24 S 4.0293 8.0148 113.0250 59.9896 62.9091 173.9186 25 A 4.2976 7.4732 124.0610 50.3729 18.4963 174.6150 *27 P 4.4431 0.0000 0.0000 64.0332 33.7793 179.9278 28 E 3.9875 8.1980 116.9238 61.2044 29.4188 180.9021 29 L 4.1453 7.8021 120.9634 57.6847 42.1868 178.8156 30 V 3.5501 7.7636 117.8368 66.1211 31.4522 177.4928 31 E 4.0387 8.2446 118.5946 59.2761 29.4306 178.5475 32 A 3.9966 8.0933 120.8512 55.0396 18.3758 179.8347 33 V 3.4974 8.0532 116.8819 66.3347 31.4563 178.0224 34 Q 4.0101 7.9760 116.5230 59.0937 28.7276 178.8312 35 K 4.1641 8.1020 116.0993 55.8055 32.9899 176.5488 36 R 3.6042 7.7208 119.0292 57.0213 29.1199 177.5727 37 D 4.6641 8.0500 117.4635 52.8390 40.9534 174.9741 38 L 4.0414 8.2194 126.7950 57.3557 41.8111 178.8083 39 A 4.0109 8.0219 120.3464 55.0865 18.4283 179.5174 40 R 3.8026 8.2493 117.1927 59.5300 30.1651 178.5652 41 I 3.6045 7.8086 119.6558 64.4259 37.1222 178.1547 42 K 4.0274 8.3085 119.9893 59.6787 31.8254 178.6473 43 A 3.9960 8.0617 119.8595 54.8606 18.2682 179.2154 44 L 4.1050 7.5810 116.8260 57.6090 42.0095 178.9577 45 I 3.7817 7.4186 118.4068 63.4113 37.4385 177.5197 46 D 4.6442 8.0296 120.3504 56.6000 40.9384 179.5733 47 P 4.0345 0.0000 0.0000 62.2442 30.7806 178.4577 *49 R 4.1747 8.1879 119.2842 57.5209 32.0690 178.0489 50 S 3.9833 7.7425 112.7003 61.5339 62.7631 175.4166 51 F 5.0940 7.3589 115.8872 57.2037 38.7317 175.3385 52 S 4.7870 7.8144 114.4986 56.6029 65.1167 173.4233 53 D 4.6512 8.7003 123.1481 52.9960 39.7767 176.5317 54 A 2.5800 7.6015 123.2845 52.6647 18.7971 178.2097 55 T 4.1285 7.4648 118.3225 66.5350 68.9599 174.2913 56 Y 4.9060 6.7679 116.9111 55.8408 41.8442 173.9229 57 I 4.9267 8.3930 119.8262 60.0839 40.6929 174.9169 58 T 4.9960 9.2741 124.0635 61.8185 71.3889 173.4985 59 V 4.8184 8.7012 125.0877 61.1257 34.1548 174.6645 60 G 4.6062 9.0129 114.8024 44.3932 0.0000 173.0832 61 D 5.0761 8.7324 120.7130 52.0044 41.4328 176.8362 62 A 4.0027 8.5985 121.0053 54.7437 18.3401 178.4391 63 S 4.5327 8.3484 108.2784 57.7845 63.5885 174.7955 64 G 3.9022 8.3790 108.9900 46.2284 0.0000 173.6901 65 Q 4.3385 8.1673 119.1425 54.9990 29.6450 175.5934 66 R 4.5029 8.9727 122.5217 56.5620 30.4754 177.3392 67 L 4.4179 8.9881 124.3172 56.2050 43.2353 176.5065 68 Y 4.7182 7.6994 118.9150 56.9000 41.0868 172.9898 69 H 4.9758 7.8814 124.3107 54.2599 33.3235 174.1802 70 V 3.5096 7.9903 117.1689 63.6733 31.6422 176.1317 71 N 4.7544 7.6373 115.4115 50.7385 39.0234 173.8053 72 P 4.1233 0.0000 0.0000 65.5486 31.6003 178.6188 73 D 4.4325 7.9800 116.4751 56.6080 40.5986 176.8743 74 E 4.1946 8.1800 118.1657 56.9647 30.0498 176.5480 75 I 3.7309 7.1778 120.7700 62.4567 37.4829 176.6114 76 G 3.9175 8.9411 112.7312 45.3482 0.0000 173.2037 77 K 4.7050 7.3092 118.6296 54.0950 35.6009 177.8065 78 S 5.3660 7.8791 121.0361 57.9985 62.0779 175.3267 *80 E 4.0353 8.6722 117.9432 56.3788 30.0945 174.2330 81 G 3.4747 10.1853 113.1310 44.6382 0.0000 175.0124 82 G 3.9775 8.4649 107.6641 45.7748 0.0000 172.9951 83 D 5.0268 7.9687 117.2590 52.8243 39.9286 177.2262 84 S 4.7745 8.1250 116.5273 60.6444 64.0203 175.3324 85 D 4.3896 8.0971 121.6305 57.2865 40.5716 178.2216 86 E 4.0556 8.2381 118.5801 59.0503 29.4855 179.1160 87 A 4.4534 8.1606 121.7318 54.6756 18.6250 179.5722 88 L 4.0189 8.1708 116.4132 57.2512 41.6961 179.0457 89 I 4.1965 8.0674 118.6415 63.2619 38.1353 177.1995 90 N 4.6654 8.0860 112.6486 52.1582 38.9171 174.9808 91 A 3.9054 7.7329 121.6985 52.9620 16.6427 177.6716 92 K 4.5126 7.9238 117.7272 57.7626 33.7745 176.2312 93 S 5.0793 8.3016 118.2471 57.1398 65.4173 172.9291 94 Y 4.7207 7.8573 120.3584 56.5789 41.5007 173.0018 95 V 4.8816 8.5118 119.8144 61.9095 33.5162 174.6419 96 S 4.8359 9.0683 119.5829 57.0491 66.5052 172.6246 97 V 5.0101 8.3067 123.7058 61.3432 33.8078 174.6464 98 R 4.6651 8.7164 124.7049 55.1734 35.5933 173.9115 99 K 4.6708 8.6678 122.2882 55.6262 32.9643 175.8089 100 G 4.1209 8.0968 120.2887 44.1200 0.0000 173.1276 101 S 4.0964 8.5440 112.8072 60.8082 62.9528 174.8451 102 L 4.2747 7.6514 118.4625 54.1971 41.8738 175.6922 103 G 3.8211 7.7556 105.3470 43.8250 0.0000 172.7264 104 S 4.7092 8.5013 114.5348 58.7131 63.9048 174.0859 105 S 5.1372 9.1400 117.8718 56.9028 67.0687 172.4244 106 L 5.1152 9.0130 124.3565 53.9912 43.3908 175.4890 107 R 5.1522 9.3854 122.8571 54.4230 33.3045 174.1816 108 G 4.3662 8.9704 108.7541 44.7545 0.0000 172.7084 109 K 5.1500 8.6260 122.9076 54.6767 36.6455 175.2841 110 S 4.8740 8.5911 116.6495 56.1700 66.1309 171.8979 111 P 4.8651 0.0000 0.0000 63.0590 32.4239 175.2367 112 I 4.4992 8.5251 122.4179 60.0407 39.1154 174.8697 113 Q 5.1625 8.4954 124.7689 54.1370 32.7135 175.3414 114 D 4.6527 8.7072 122.1339 52.1343 41.3070 176.8035 115 A 4.0392 8.5143 121.1680 55.1559 18.2741 178.5784 116 T 4.1563 8.1239 104.5234 62.1118 69.4147 175.9131 117 G 3.9726 8.2217 110.9546 44.9061 0.0000 174.0574 118 K 3.8165 7.7209 121.8146 56.5627 32.5713 175.8246 119 V 4.2406 8.3908 126.3521 62.8520 31.8012 175.3951 120 I 4.3976 8.5824 119.9594 59.8691 38.6455 175.4870 121 G 3.9533 7.3436 107.9063 46.8029 0.0000 171.2595 122 I 4.8432 7.5214 117.3596 59.9223 42.0805 174.4440 123 V 4.8411 8.8020 128.1651 61.1048 34.4734 174.0852 124 S 5.1883 9.0821 121.7003 56.4772 65.5075 172.4959 125 V 4.6200 8.8922 127.1170 61.0719 34.0032 174.4758 126 G 4.0319 7.7679 113.8032 43.1849 0.0000 170.7616 127 Y 4.9311 8.8531 118.5676 55.6419 41.2220 175.4998 128 T 4.4932 8.6678 115.5825 61.4887 69.8129 174.7215 129 I 3.9368 8.2015 123.5303 61.8839 37.0563 176.0233 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 E 8.40 4.36 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 7 R 8.47 3.91 0.00 1.89 1.97 0.00 3.22 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 8 L 7.74 4.14 0.00 1.76 1.71 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.23 4.23 0.00 3.39 3.54 0.00 5.51 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.68 3.88 0.00 2.96 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.46 3.75 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 12 V 7.96 3.37 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.78 0.00 0.00 13 G 7.86 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.83 3.76 0.00 1.60 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 15 R 7.60 3.78 0.00 1.77 1.87 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 16 A 8.04 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.01 3.81 0.00 1.60 1.77 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.59 3.82 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 0.89 0.00 0.00 19 Q 8.01 4.18 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 20 A 7.93 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Q 7.96 4.19 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 23 I 8.03 3.71 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.54 0.85 0.00 0.00 24 S 8.01 4.03 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.47 4.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 P 0.00 4.44 0.00 2.21 2.14 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 28 E 8.20 3.99 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.95 0.00 29 L 7.80 4.15 0.00 1.71 1.66 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.76 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.92 0.00 0.00 31 E 8.24 4.04 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 32 A 8.09 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.05 3.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 34 Q 7.98 4.01 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 35 K 8.10 4.16 0.00 1.74 1.85 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.61 7.81 36 R 7.72 3.60 0.00 1.88 1.93 0.00 3.25 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 37 D 8.05 4.66 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.22 4.04 0.00 1.75 1.74 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.02 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.25 3.80 0.00 2.10 2.09 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 41 I 7.81 3.60 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.87 0.00 0.00 42 K 8.31 4.03 0.00 2.02 2.06 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.88 7.81 43 A 8.06 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.58 4.11 0.00 1.70 1.65 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.42 3.78 0.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.13 0.33 0.00 0.00 46 D 8.03 4.64 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.03 0.00 2.05 2.09 0.00 3.54 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 *49 R 8.19 4.17 0.00 2.02 2.01 0.00 3.41 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 50 S 7.74 3.98 0.00 3.22 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.36 5.09 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.81 4.79 0.00 3.86 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.70 4.65 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.60 2.58 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.46 4.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 56 Y 6.77 4.91 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.39 4.93 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.88 0.00 0.00 58 T 9.27 5.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 59 V 8.70 4.82 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.87 0.00 0.00 60 G 9.01 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.73 5.08 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.60 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.35 4.53 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.38 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.17 4.34 0.00 2.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 66 R 8.97 4.50 0.00 1.84 1.88 0.00 3.23 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 67 L 8.99 4.42 0.00 1.56 1.77 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.70 4.72 0.00 3.08 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.88 4.98 0.00 3.03 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.99 3.51 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.84 0.00 0.00 71 N 7.64 4.75 0.00 2.70 2.71 0.00 0.00 6.95 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.12 0.00 2.12 2.04 0.00 3.54 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 73 D 7.98 4.43 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.18 4.19 0.00 1.81 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 75 I 7.18 3.73 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.37 0.90 0.00 0.00 76 G 8.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.31 4.70 0.00 1.92 1.67 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.30 7.81 78 S 7.88 5.37 0.00 3.97 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 E 8.67 4.04 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 81 G 10.19 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.46 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.97 5.03 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.13 4.77 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.10 4.39 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.24 4.06 0.00 1.52 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 87 A 8.16 4.45 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.17 4.02 0.00 1.66 1.78 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.07 4.20 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.92 0.00 0.00 90 N 8.09 4.67 0.00 2.89 2.87 0.00 0.00 6.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.73 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.92 4.51 0.00 1.99 1.92 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.47 7.81 93 S 8.30 5.08 0.00 3.72 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.86 4.72 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.51 4.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 96 S 9.07 4.84 0.00 4.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.31 5.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 98 R 8.72 4.67 0.00 1.79 1.80 0.00 3.39 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 99 K 8.67 4.67 0.00 1.78 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.33 7.81 100 G 8.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.54 4.10 0.00 3.91 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.65 4.27 0.00 1.59 1.74 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.50 4.71 0.00 3.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 9.14 5.14 0.00 4.14 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.01 5.12 0.00 1.84 1.66 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 R 9.39 5.15 0.00 1.97 2.08 0.00 3.16 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 108 G 8.97 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.63 5.15 0.00 0.79 1.40 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.29 1.24 7.81 110 S 8.59 4.87 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.87 0.00 2.13 2.25 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 112 I 8.53 4.50 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.91 0.00 0.00 113 Q 8.50 5.16 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 114 D 8.71 4.65 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.51 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.12 4.16 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 G 8.22 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.72 3.82 0.00 1.77 2.07 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.40 7.81 119 V 8.39 4.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 120 I 8.58 4.40 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.92 0.00 0.00 121 G 7.34 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.52 4.84 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.49 0.99 0.00 0.00 123 V 8.80 4.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 124 S 9.08 5.19 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.89 4.62 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 126 G 7.77 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.85 4.93 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.67 4.49 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 129 I 8.20 3.94 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.